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1-O-(1Z-triacontenyl)-2-(13Z-docosenoyl)-sn-glycero-3-phospho-N-octadecanoyl-ethanolamine

PropertiesImage
MNX_IDMNXM1018459 Image of MNXM1018459
referenceslm:000710848
formulaC75H145NO8P
global charge-1
mol weight1219.958
InChIKeyOOZVIFXKAXKTIJ-CKQYBXCVSA-M
InChIInChI=1S/C75H146NO8P/c1-4-7-10-13-16-19-22-25-28-30-32-33-34-35-36-37-38-39-40-42-44-47-50-53-56-59-62-65-69-81-71-73(84-75(78)67-64-61-58-55-52-49-46-43-41-31-29-26-23-20-17-14-11-8-5-2)72-83-85(79,80)82-70-68-76-74(77)66-63-60-57-54-51-48-45-27-24-21-18-15-12-9-6-3/h26,29,65,69,73H,4-25,27-28,30-64,66-68,70-72H2,1-3H3,(H,76,77)(H,79,80)/p-1/b29-26-,69-65-/t73-/m1/s1
SMILESCCCCCCCC/C=C\CCCCCCCCCCCC(=O)O[C@H](CO/C=C\CCCCCCCCCCCCCCCCCCCCCCCCCCCC)COP(=O)([O-])OCCNC(=O)CCCCCCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C75H146NO8P/c1-4-7-10-13-16-19-22-25-28-30-32-33-34-35-36-37-38-39-40-42-44-47-50-53-56-59-62-65-69-81-71-73(84-75(78)67-64-61-58-55-52-49-46-43-41-31-29-26-23-20-17-14-11-8-5-2)72-83-85(79,80)82-70-68-76-74(77)66-63-60-57-54-51-48-45-27-24-21-18-15-12-9-6-3/h26,29,65,69,73H,4-25,27-28,30-64,66-68,70-72H2,1-3H3,(H,76,77)(H,79,80)/b29-26-,69-65-/t73-/m1/s1 Image of MNXM1018459
SMILES (mnx)[CH3:1][CH2:4][CH2:7][CH2:10][CH2:13][CH2:16][CH2:19][CH2:22][CH2:25][CH2:28][CH2:30][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][CH2:40][CH2:42][CH2:44][CH2:47][CH2:50][CH2:53][CH2:56][CH2:59][CH2:62]/[CH:65]=[CH:69]\[O:81][CH2:71][C@H:73]([CH2:72][O:83][P:85]([OH:79])(=[O:80])[O:82][CH2:70][CH2:68][N:76]=[C:74]([CH2:66][CH2:63][CH2:60][CH2:57][CH2:54][CH2:51][CH2:48][CH2:45][CH2:27][CH2:24][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])[OH:77])[O:84][C:75]([CH2:67][CH2:64][CH2:61][CH2:58][CH2:55][CH2:52][CH2:49][CH2:46][CH2:43][CH2:41][CH2:31]/[CH:29]=[CH:26]\[CH2:23][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:78]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

SLM:000710848
slm:000710848
OOZVIFXKAXKTIJ-CKQYBXCVSA-M
1-O-(1Z-triacontenyl)-2-(13Z-docosenoyl)-sn-glycero-3-phospho-N-octadecanoyl-ethanolamine
N-octadecanoyl-1-O-(1Z-triacontenyl)-2-(13Z-docosenoyl)-sn-glycero-3-phosphoethanolamine
NAPE (P-30:0/22:1(13Z)/18:0)